CHEMBL2059524
SMILES | CCc1c(CCCC(=O)O)cccc1-c1ccn(-c2ccc(OC(C)C)c(C#N)c2)n1 |
InChIKey | XTJFMVHBCFQFPJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 417.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |